2-(dimethylamino)naphthalene-1-diazonium chloride

C12H12ClN3 — CID 88633498

IUPAC2-(dimethylamino)naphthalene-1-diazonium chloride
SMILESCN(C)c1ccc2ccccc2c1[N+]#N.[Cl-]
InChIInChI=1S/C12H12N3.ClH/c1-15(2)11-8-7-9-5-3-4-6-10(9)12(11)14-13;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKeyQAXVJTUSAOXXQK-UHFFFAOYSA-M
MW233.70 g/mol
LogP0.39
Rot. Bonds1

About 2-(dimethylamino)naphthalene-1-diazonium chloride

2-(dimethylamino)naphthalene-1-diazonium chloride (PubChem CID 88633498) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(dimethylamino)naphthalene-1-diazonium chloride.

Molecular Properties

Compound Name2-(dimethylamino)naphthalene-1-diazonium chloride
PubChem CID88633498
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-(dimethylamino)naphthalene-1-diazonium chloride
SMILESCN(C)c1ccc2ccccc2c1[N+]#N.[Cl-]
InChIInChI=1S/C12H12N3.ClH/c1-15(2)11-8-7-9-5-3-4-6-10(9)12(11)14-13;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKeyQAXVJTUSAOXXQK-UHFFFAOYSA-M
XLogP0.39
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)naphthalene-1-diazonium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)naphthalene-1-diazonium chloride?
The IUPAC name of 2-(dimethylamino)naphthalene-1-diazonium chloride (CID 88633498) is 2-(dimethylamino)naphthalene-1-diazonium chloride.
What is the SMILES notation for 2-(dimethylamino)naphthalene-1-diazonium chloride?
The canonical SMILES for 2-(dimethylamino)naphthalene-1-diazonium chloride is CN(C)c1ccc2ccccc2c1[N+]#N.[Cl-].
What is the InChIKey of 2-(dimethylamino)naphthalene-1-diazonium chloride?
The InChIKey is QAXVJTUSAOXXQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N3.ClH/c1-15(2)11-8-7-9-5-3-4-6-10(9)12(11)14-13;/h3-8H,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-(dimethylamino)naphthalene-1-diazonium chloride?
2-(dimethylamino)naphthalene-1-diazonium chloride has a molecular weight of 233.70 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)naphthalene-1-diazonium chloride is sourced from PubChem (CID 88633498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).